4-chloro-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid

C12H11ClN2O4S2 — CID 67131835

IUPAC4-chloro-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid
SMILESNS(=O)(=O)c1cc(C(=O)O)c(NCc2cccs2)cc1Cl
InChIInChI=1S/C12H11ClN2O4S2/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
InChIKeyGTAFUBDGBLSUOX-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.36
Rot. Bonds5

About 4-chloro-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid

4-chloro-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid (PubChem CID 67131835) has the molecular formula C12H11ClN2O4S2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 4-chloro-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid.

Molecular Properties

Compound Name4-chloro-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid
PubChem CID67131835
Molecular FormulaC12H11ClN2O4S2
Molecular Weight346.82 g/mol
Exact Mass345.98
IUPAC Name4-chloro-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid
SMILESNS(=O)(=O)c1cc(C(=O)O)c(NCc2cccs2)cc1Cl
InChIInChI=1S/C12H11ClN2O4S2/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
InChIKeyGTAFUBDGBLSUOX-UHFFFAOYSA-N
XLogP2.36
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid
CID 21499400
CID 68522905
CID 68522905
N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide
CID 126508254
5-sulfamoyl-2-(2-thiophen-2-ylethylamino)benzoic acid
CID 43322707
2-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 43173657
2-(thiophen-2-ylmethylamino)benzamide
CID 83291253
bis(2,4-dichloro-5-sulfamoylbenzoic acid);ethane-1,2-diamine
CID 50942703
potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride
CID 138402493
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-chloro-5-sulfamoylbenzoate
CID 8942761
2-amino-4-(thiophen-2-ylmethylamino)benzenesulfonamide
CID 79466591
4-chloro-2-(2-methoxyanilino)-5-sulfamoylbenzoic acid
CID 13348413
4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl cyanide
CID 141273993

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid?
The IUPAC name of 4-chloro-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid (CID 67131835) is 4-chloro-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid.
What is the SMILES notation for 4-chloro-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid?
The canonical SMILES for 4-chloro-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid is NS(=O)(=O)c1cc(C(=O)O)c(NCc2cccs2)cc1Cl.
What is the InChIKey of 4-chloro-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid?
The InChIKey is GTAFUBDGBLSUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4S2/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19).
What are the key properties of 4-chloro-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid?
4-chloro-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid has a molecular weight of 346.82 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid is sourced from PubChem (CID 67131835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).